CID 950989

34654-20-1

Structural Information

Molecular Formula
C8H13N3
SMILES
CC(C)NC1=C(C=NC=C1)N
InChI
InChI=1S/C8H13N3/c1-6(2)11-8-3-4-10-5-7(8)9/h3-6H,9H2,1-2H3,(H,10,11)
InChIKey
GWZGKUKHGGUWGK-UHFFFAOYSA-N
Compound name
4-N-propan-2-ylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.6
[M+Na]+ 174.10017 139.5
[M-H]- 150.10367 134.7
[M+NH4]+ 169.14477 151.8
[M+K]+ 190.07411 137.7
[M+H-H2O]+ 134.10821 125.8
[M+HCOO]- 196.10915 156.7
[M+CH3COO]- 210.12480 182.0
[M+Na-2H]- 172.08562 139.1
[M]+ 151.11040 129.9
[M]- 151.11150 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe